⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14720189 | 0.83 | — | — | |
| SCHEMBL28492097 | 0.79 | PTPN11 (0.41) | — | |
| SCHEMBL28433792 | 0.77 | AHR (0.31) | — | |
| SCHEMBL28445233 | 0.76 | — | — | |
| SCHEMBL28439250 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28834395 | 0.76 | — | — | |
| SCHEMBL28755102 | 0.73 | — | — | |
| SCHEMBL29148789 | 0.72 | — | — | |
| SCHEMBL28999748 | 0.71 | — | — | |
| SCHEMBL28851704 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104327036-B | A kind of preparation method of cyclic carbonate | 中国科学院长春应用化学研究所 | 2017-03-29 | — | — | CN | disclosed |
| CN-104448283-B | A kind of preparation method of Merlon | 中国科学院长春应用化学研究所 | 2016-09-28 | — | — | CN | disclosed |
| CN-104448283-A | Preparation method of polycarbonate | CHANGCHUN APPLIED CHEMISTRY | 2015-03-25 | — | — | CN | disclosed |
| CN-104327036-A | Preparation method of cyclic carbonate | CHANGCHUN APPLIED CHEMISTRY | 2015-02-04 | — | — | CN | disclosed |